SCHEMBL3493133

SCHEMBL3493133

N#CC1(C(=O)NCc2ccc(C(F)(F)F)nc2)CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
ENPP2 Q13822 11/20 0.43
TRPA1 O75762 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
KDM1A O60341 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40
KIT P10721 1/20 0.39
MGLL Q99685 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3494553 0.86 NAMPT (0.44) NAMPTENPP2MGLL
SCHEMBL3491932 0.84 NAMPT (0.43) NAMPTENPP2KDM1AMAOAMAOB
SCHEMBL3492949 0.84 USP30 (0.48) NAMPTTRPA1TRPV1
SCHEMBL3492754 0.82 NAMPT (0.48) NAMPTSCN5ASCN9AENPP2TRPV1
SCHEMBL3493008 0.75 RAB9A (0.46) TRPV1
SCHEMBL3493128 0.75 USP30 (0.39) TRPA1MGLL
SCHEMBL2924166 0.73 TEAD1 (0.51) NAMPTSCN5ASCN9AENPP2KDM1A
SCHEMBL22501639 0.73 TRPV1 (0.52) NAMPTSCN5ASCN9ATRPV1KDM1A
SCHEMBL3492864 0.72 NAMPT (0.45) NAMPT
SCHEMBL13343949 0.72 NAMPT (0.44) NAMPTENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 NAMPT 3072/4885SCN5A 183/4885SCN9A 559/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.